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79820-06-7

79820-06-7 | Pyrrolidinium, 2-(1-hydroxy-2-phenyl-1-(phenylmethyl)ethyl)-1-methyl-1 -(phenylmethyl)-, iodide

CAS No: 79820-06-7 Catalog No: AG00GHGJ MDL No:

Product Description

Catalog Number:
AG00GHGJ
Chemical Name:
Pyrrolidinium, 2-(1-hydroxy-2-phenyl-1-(phenylmethyl)ethyl)-1-methyl-1 -(phenylmethyl)-, iodide
CAS Number:
79820-06-7
IUPAC Name:
2-(1-benzyl-1-methylpyrrolidin-1-ium-2-yl)-1,3-diphenylpropan-2-ol;iodide
InChI:
InChI=1S/C27H32NO.HI/c1-28(22-25-16-9-4-10-17-25)19-11-18-26(28)27(29,20-23-12-5-2-6-13-23)21-24-14-7-3-8-15-24;/h2-10,12-17,26,29H,11,18-22H2,1H3;1H/q+1;/p-1
InChI Key:
ZNNTXZHEBCDWHP-UHFFFAOYSA-M

Properties

Complexity:
467  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.153g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
513.463g/mol
Monoisotopic Mass:
513.153g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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